8019-1261 Screening compound: ethyl 3,3,3-trifluoro-2-hydroxy-2-(prop-2-enamido)propanoate

8019-1261 Screening compound: ethyl 3,3,3-trifluoro-2-hydroxy-2-(prop-2-enamido)propanoate
8019-1261 Screening compound: ethyl 3,3,3-trifluoro-2-hydroxy-2-(prop-2-enamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1261
ethyl 3,3,3-trifluoro-2-hydroxy-2-(prop-2-enamido)propanoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8019-1261

Molecular Formula

C8H10F3NO4 (C8 H10 F3 NO4)

Compound Name

ethyl 3,3,3-trifluoro-2-hydroxy-2-(prop-2-enamido)propanoate

IUPAC name

ethyl 333-trifluoro-2-hydroxy-2-(prop-2-enamido)propanoate

SMILES

CCOC(C(C(F)(F)F)(NC(C=C)=O)O)=O

InChI

InChI=1S/C8H10F3NO4/c1-3-5(13)12-7(15,8(9,10)11)6(14)16-4-2/h3,15H,1,4H2,2H3,(H,12,13)/t7-/m1/s1

InChI Key

UKVLQFBMFSYGLS-SSDOTTSWSA-N

MDL Number (MFCD)

MFCD00275955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

241.17

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.786

Distribution Coefficient, logD

0.622

Water Solubility, LogSw

-1.51

Polar Surface Area

62.337

Acid Dissociation Constant (pKa)

7.74

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8019-1261 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8019-1261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1261?
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What is the minimum amount of 8019-1261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1261
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8019-1261 available by request